| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 23 | Yes |
Popular Name: 2-[4-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-1-yl]-N,N-diethyl-acetamide 2-[4-(5-chloro-6-oxo-1H-pyridazi…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.01 | 4.74 | -67.92 | 1 | 7 | 0 | 77 | 341.843 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.01 | 3 | -48.61 | 0 | 7 | -1 | 76 | 340.835 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.56 | 6.11 | -54.51 | 2 | 7 | 1 | 74 | 342.851 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
